4DYD
 
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-02-28 | | Release date: | 2012-11-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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8KGP
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8KGT
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3Q2C
 | | Binding properties to HLA class I molecules and the structure of the leukocyte Ig-like receptor A3 (LILRA3/ILT6/LIR4/CD85e) | | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily A member 3 | | Authors: | Ryu, M, Chen, Y, Qi, J.X, Liu, J, Shi, Y, Cheng, H, Gao, G.F. | | Deposit date: | 2010-12-20 | | Release date: | 2011-07-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | LILRA3 binds both classical and non-classical HLA class I molecules but with reduced affinities compared to LILRB1/LILRB2: structural evidence
Plos One, 6, 2011
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6UN3
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2019-10-10 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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6UN1
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin | | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2019-10-10 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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1TM0
 | | Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31 | | Descriptor: | PROLINE RACEMASE | | Authors: | Forouhar, F, Chen, Y, Xiao, R, Ho, C.K, Ma, L.-C, Cooper, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-06-10 | | Release date: | 2004-06-29 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
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6UNB
 | | Crystal structure of CTX-M-14 in complex with temocillin | | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2019-10-11 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
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4ZNQ
 | | Crystal structure of Dln1 complexed with Man(alpha1-2)Man | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | | Deposit date: | 2015-05-05 | | Release date: | 2016-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
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4ZNO
 | | Crystal structure of Dln1 complexed with sucrose | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ... | | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | | Deposit date: | 2015-05-05 | | Release date: | 2016-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
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4E13
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-03-05 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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4ZNR
 | | Crystal structure of Dln1 complexed with Man(alpha1-3)Man | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | | Deposit date: | 2015-05-05 | | Release date: | 2016-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
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4C0G
 | | Structure of the NOT-box domain of human CNOT3 | | Descriptor: | CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 3 | | Authors: | Boland, A, Chen, Y, Raisch, T, Jonas, S, Izaurralde, E, Weichenrieder, O. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-09 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Assembly of the not Module of the Human Ccr4-not Complex
Nat.Struct.Mol.Biol., 20, 2013
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6OOE
 | | CTX-M-27 Beta Lactamase with Compound 20 | | Descriptor: | 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | | Authors: | Kemp, M, Chen, Y. | | Deposit date: | 2019-04-23 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
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6OOF
 | | CTX-M-14 Beta Lactamase with Compound 20 | | Descriptor: | 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | | Authors: | Kemp, M, Chen, Y. | | Deposit date: | 2019-04-23 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.236 Å) | | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
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4HMP
 | | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae TIGR4 | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, GLYCEROL, ... | | Authors: | Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z. | | Deposit date: | 2012-10-18 | | Release date: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
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7K65
 | | Hedgehog receptor Patched (PTCH1) in complex with conformation selective nanobody TI23 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | Authors: | Zhang, Y, Bulkley, D.P, Liang, J, Manglik, A, Cheng, Y, Beachy, P.A. | | Deposit date: | 2020-09-18 | | Release date: | 2021-03-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Hedgehog pathway activation through nanobody-mediated conformational blockade of the Patched sterol conduit.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4HMO
 | | Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with Bis-tris propane | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Iron-compound ABC transporter, ... | | Authors: | Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z. | | Deposit date: | 2012-10-18 | | Release date: | 2013-09-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
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6OOK
 | | CTX-M-14 Beta Lactamase with Compound 3 | | Descriptor: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase, PHOSPHATE ION | | Authors: | Kemp, M, Chen, Y. | | Deposit date: | 2019-04-23 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
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4HMQ
 | | Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with ferrichrome | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z. | | Deposit date: | 2012-10-18 | | Release date: | 2013-09-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
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6OOJ
 | | CTX-M-14 Beta Lactamase with Compound 14 | | Descriptor: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | | Authors: | Kemp, M, Chen, Y. | | Deposit date: | 2019-04-23 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
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7T9I
 | | Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-03 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9N
 | | M22 Agonist Autoantibody bound to Human Thyrotropin receptor in complex with miniGs399 (composite structure) | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-03 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9M
 | | Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CS-17 Heavy Chain, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-10 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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6PK0
 | | Crystal Structure of OXA-48 with Hydrolyzed Imipenem | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-06-28 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
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